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Non-relativistic self-consistent-field theory. IV

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Abstract

The general, exact self-consistent-field formalism developed in III of this series has been applied to the determination of the Hartree-Fock wave function for the ground state of Li. Practical details of the calculations are given.

Zusammenfassung

Der allgemeine, exakte „self-consistent-field“-Formalismus, der in III dieser Serie entwickelt wurde, ist für die Bestimmung der Hartree-Fock-Funktion für den Grundzustand von Li verwendet worden. Praktische Einzelheiten dieser Berechnungen sind angeführt.

Résumé

Le formalisme exact de champ «gauto-cohérent», qui a été développé dans III de cette série, est employé pour déterminer la fonction de Hartree-Fock pour l'état fondamental de Li. On présente aussi les détails pratiques des calculs.

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References

  1. Clementi, E.: Unpublished results.

  2. Fraga, S.: Theoret. chim. Acta (Berl.) 2, 411 (1964).

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Author notes

  1. R. E. D. McClung

    Present address: Department of Chemistry, University of California, Los Angeles 24, California, USA

Authors and Affiliations

  1. Department of Chemistry, University of Alberta, Edmonton, Alta., Canada

    R. E. D. McClung & S. Fraga

Authors
  1. R. E. D. McClung
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  2. S. Fraga
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Additional information

This work has been supported in part by the National Research Council of Canada.

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McClung, R.E.D., Fraga, S. Non-relativistic self-consistent-field theory. IV. Theoret. Chim. Acta 2, 416–421 (1964). https://doi.org/10.1007/BF00526591

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  • DOI: https://doi.org/10.1007/BF00526591

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